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To illustrate this further, three different workflows are described: The compilation of a set of molecules for a virtual or experimental screening isa very common task in cheminformatics.
A further complication is the large variety of NMR experiments and observables an automated workflow might need to accommodate, which necessitates the compilation of a library of experiment-specific simulation programs.
The compilation of such a computational toolbox would encompass linking various pieces of research together in a consistent workflow, standardising inputs and outputs between the stages and methods.
Here, we present ChemicalToolBoX, a compilation of more than 30 tools integrated into a single computational chemistry and cheminformatics platform based on the Galaxy workflow management system [1, 2].
Compilation of familiar lines from TV commercials.
Compilation of bibliography.
NM: compilation of prev.
A compilation of teeny tiny memoirs.
Here's a compilation of those stories.
A compilation of summer-reading lists.
In this paper, we provide a workflow for the determination of the crustal nature in the Mozambique Channel, east of Davie Ridge, by presenting a compilation of several geophysical attributes of oceanic crust at divergent margins.
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